[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate

C10H16O6 — CID 100966636

IUPAC[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
SMILESCOC1[C@@H](OC(C)=O)COC[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-4-14-5-9(10(8)13-3)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyPHXHFIHKPNANIV-IUCAKERBSA-N
MW232.23 g/mol
LogP-0.10
Rot. Bonds3

About [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate

[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate (PubChem CID 100966636) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
PubChem CID100966636
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
SMILESCOC1[C@@H](OC(C)=O)COC[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-4-14-5-9(10(8)13-3)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyPHXHFIHKPNANIV-IUCAKERBSA-N
XLogP-0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184
[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate
CID 121015837
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
(2-methoxycyclobutyl) acetate
CID 68941344
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate?
The IUPAC name of [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate (CID 100966636) is [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate.
What is the SMILES notation for [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate?
The canonical SMILES for [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate is COC1[C@@H](OC(C)=O)COC[C@@H]1OC(C)=O.
What is the InChIKey of [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate?
The InChIKey is PHXHFIHKPNANIV-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)15-8-4-14-5-9(10(8)13-3)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate?
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate is sourced from PubChem (CID 100966636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).